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The two faces of static correlation
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10.1063/1.3570574
/content/aip/journal/jcp/134/11/10.1063/1.3570574
http://aip.metastore.ingenta.com/content/aip/journal/jcp/134/11/10.1063/1.3570574

Figures

Image of FIG. 1.
FIG. 1.

for the Be-like ions with 3 ⩽ Z ⩽ 5 using the large (solid) and minimal (dashed) basis sets.

Image of FIG. 2.
FIG. 2.

Löwdin (solid) and Pople (dashed) correlation energies of Be-like ions using the minimal Slater basis set (9) showing regions where one finds Type A, B, and D correlation.

Image of FIG. 3.
FIG. 3.

Löwdin (solid) and Pople (dashed) correlation energies of H2 using the cc-pV5Z basis set, showing regions where one finds Type A, B, and D correlation.

Tables

Generic image for table
Table I.

(), (m), and (m) of Be-like ions with 3 ⩽ Z ⩽ 5.

Generic image for table
Table II.

Slater exponents, (), (m), and (m) of Be-like ions with 3 ⩽ Z ⩽ 5.

Generic image for table
Table III.

HOMO and LUMO energies (), in H2 molecule (bond length = R) and Be-like ions (nuclear charge = Z).

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/content/aip/journal/jcp/134/11/10.1063/1.3570574
2011-03-21
2014-04-21
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: The two faces of static correlation
http://aip.metastore.ingenta.com/content/aip/journal/jcp/134/11/10.1063/1.3570574
10.1063/1.3570574
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